Skip to main content
SpringerLink
Log in

Cation ordering in aluminophosphates and aluminosilicates: a combinatorial and geometrical analysis of the avoidance rule

  • Original Research
  • Published:
Structural Chemistry Aims and scope Submit manuscript

Abstract

The concepts of independent quotient and maximally independent sets in a periodic net, associated with the analysis of the Löwenstein rule in aluminosilicates, are revised. Topological graph theory is applied to validate the calculation technique of the independent quotient, based on the use of labelled quotient graphs. Some examples are considered among aluminophosphates and aluminosilicates. It is shown that chemical composition and geometry as well as topology are important factors determining cation ordering in these compounds.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7
Fig. 8
Fig. 9
Fig. 10
Fig. 11
Fig. 12

Similar content being viewed by others

References

  1. Bell RG, Jackson RA, Catlow CRA (1992) Löwenstein’s rule in zeolite A: a computational study. Zeolites 12:870–871

    Article  CAS  Google Scholar 

  2. Catlow CRA, George AR, Freeman CM (1996) Ab initio and molecular-mechanics studies of aluminosilicate fragments, and the origin of Löwenstein’s rule. Chem Commun 11:1311–1312

    Article  Google Scholar 

  3. Dann SE, Mead PJ, Weller MT (1996) Löwenstein’s rule extended to an Aluminum rich framework. The structure of bicchulite, \(Ca_8(Al_2SiO_6)_4(OH)_8\), by MAS NMR and neutron diffraction. Inorg Chem 35:1427–1428

    Article  CAS  Google Scholar 

  4. Ruiz-Salvador AR, Grau-Crespob R, Gray AE, Lewis DW (2013) Aluminium distribution in ZSM-5 revisited: the role of AlAl interactions. J Solid State Chem 198:330–336

    Article  CAS  Google Scholar 

  5. Klee WE (1974) Al/Si distributions in tectosilicates: a graph-theoretical approach. Z Krist 140:154–162

    Article  CAS  Google Scholar 

  6. Klee WE (1974) Al/Si distributions in tectosilicates: scapolites. Z Krist 140:163–168

    Article  CAS  Google Scholar 

  7. Chung SJ, Hahn Th, Klee WE (1984) Nomenclature and generation of 3-periodic nets—the vector method. Acta Crystallogr A40:42–50

    Article  CAS  Google Scholar 

  8. Klee WE (2004) Crystallographic nets and their quotient graphs. Cryst Res Technol 39:959–968

    Article  CAS  Google Scholar 

  9. Eon J-G (2016) Topological features in crystal structures: a quotient graph assisted analysis of underlying nets and their embeddings. Acta Crystallogr A72:268–293

    Google Scholar 

  10. Harary F (1972) Graph theory. Addison-Wesley, New York

    Google Scholar 

  11. Blatov VA, Shevchenko AP, Proserpio DM (2014) Applied topological analysis of crystal structures with the program package ToposPro. Cryst. Growth Des 14:3576–3586

    Article  CAS  Google Scholar 

  12. Chippindale AM, Natarajan S, Thomas JM, Jones RH (1994) An example of a reactive template in the synthesis of a novel layered aluminum phosphate, (Al\(_3\)P\(_4\)O\(_{16})^{3-}\)(NH\(_3\)(CH\(_2\))\(_5\)NH\(_3)^{2+}\))(C\(_5\)H\(_{10}\)NH\(_2)^+\). J Solid State Chem 111:18–25

    Article  CAS  Google Scholar 

  13. Huang Q, Hwu S-J (1999) \(Cs_2Al_2P_2O_9\): an exception to Löwenstein’s rule. Synthesis and characterization of a novel layered aluminophosphate containing linear AlAl linkages. Chem Commun 23:2343–2344

    Google Scholar 

  14. Nespolo M, Guillot B (2015) CHARDI2015: charge distribution analysis of non-molecular structures. J Appl Crystallogr 49:317–321

    Article  Google Scholar 

  15. Hesse K-F, Cemic L (1994) Crystal structure of MgAIPO\(_5\). Z Krist 209:660–661

    CAS  Google Scholar 

  16. Florian P, Veron E, Green TFG, Yates JR, Massiot D (2012) Elucidation of the Al/Si ordering in gehlenite Ca\(_2\)Al\(_2\)SiO\(_7\) by combined \({}^{29}\)Si and \({}^{27}\)Al NMR spectroscopy/quantum chemical calculations. Chem Mater 24:4068–4079

    Article  CAS  Google Scholar 

  17. Swainson IP, Dove MT, Schmahl WW, Putnis A (1992) Neutron powder diffraction study of the akermanite–gehlenite solid solution series. Phys Chem Miner 19:185–195

    Article  CAS  Google Scholar 

Download references

Acknowledgments

J.-G. Eon thanks CNPq, Conselho Nacional de Desenvolvimento e Pesquisa of Brazil for support during the preparation of this work.

Author information

Authors and Affiliations

  1. Instituto de Química, Universidade Federal do Rio de Janeiro, Avenida Athos da Silveira Ramos, 149 Bloco A, Cidade Universitária, Rio de Janeiro, 21941-909, Brazil

    Jean-Guillaume Eon

Authors
  1. Jean-Guillaume Eon
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Jean-Guillaume Eon.

Additional information

In honour of Prof. A. P. Shevchenko for his 75th birthday.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Eon, JG. Cation ordering in aluminophosphates and aluminosilicates: a combinatorial and geometrical analysis of the avoidance rule. Struct Chem 27, 1613–1621 (2016). https://doi.org/10.1007/s11224-016-0770-5

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11224-016-0770-5

Keywords

Search

Navigation